2,6-Diamino-8-[(1H-Imidazol-2-Ylsulfanyl)Methyl]-4(1H)-Quinazolinone

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Formula C12H14N6OS
IUPAC Name 2,6-diamino-8-(1,5-dihydroimidazol-3-ium-5-id-2-ylsulfanylmethyl)-3h-quinazolin-1-ium-4a-id-4-one
Molecular Mass 290.344 g·mol−1
Heat of Formation 134.0 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 316.66 Å 3
Surface Area 295.68 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
InChIKey CEWKWXPCQGWWBM-UHFFFAOYSA-O
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